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Academic literature on the topic 'Výpočet reakcí'
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Journal articles on the topic "Výpočet reakcí"
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Hvězda, Jiří. "Multi-Zone Models of Combustion and Heat Transfer Processes in SI Engines." Journal of Middle European Construction and Design of Cars 10, no. 2 (November 1, 2012): 14–22. http://dx.doi.org/10.2478/v10138-012-0008-6.
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Shrnutí Tato práce představuje sadu nově vyvinutých nástrojů implementovatelných do komplexních kódů pro simulaci spalovacích motorů pro zajištění výpočtů týkajících se vysokotlaké části termodynamického cyklu čtyřdobého zážehového motoru. Tento více-zónový simulační nástroj pracuje na základě jednoduché kvazi-dimenzionální metody reflektující reálnou geometrii spalovacího prostoru a používá specifický přístup k popisu chemické transformace složek. V případech abnormálně rychlých chemických reakcí je klasické kinetické schéma adaptivně kombinováno s flexibilní metodou chemické rovnováhy pro zlepšení numerických vlastností soustavy rovnic. Reálná 3-D geometrie spalovacího prostoru je zohledňována pomocí předem vytvořených geometrických charakteristik. Je zde prezentován nový univerzální nástroj zajišťující tato data. Nový kód má schopnost pracovat v prediktivním stejně jako inverzním módu. Vybrané výsledky týkající se obou těchto režimů jsou prezentovány v závěru příspěvku.
Dissertations / Theses on the topic "Výpočet reakcí"
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Pavelka, Radomil. "Pohon vřeten pětivřetenového soustružnického automatu." Master's thesis, Vysoké učení technické v Brně. Fakulta strojního inženýrství, 2014. http://www.nusl.cz/ntk/nusl-231522.
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The subject of the thesis is design of independent spindle drive for multi-spindle automatic lathe MORI-SAY TMZ 520 CNC manufactured by TAJMAC-ZPS. The thesis will introduce the representatives of manufacturing program of TAJMAC-ZPS multi-spindle automatic lathes division and there will be a brief description of their main constructional parts. The main objective of the thesis is an engineering design of testing device which will be bulit for verification of the correct drive concept. There is also many calculations and detailed description of the engineering design. The testing device is made for internal needs of TAJMAC-ZPS.
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Burian, Jiří. "Experimentální a výpočetní výzkum vlastností solí pro jaderné reaktory typu MSR z pohledu jaderných dat." Master's thesis, Vysoké učení technické v Brně. Fakulta elektrotechniky a komunikačních technologií, 2021. http://www.nusl.cz/ntk/nusl-442467.
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Nowadays there is research into molten salt reactors. The use of chlorine-based salts, which would be more available than known fluoride salts, is envisaged. The subject of research is not only the chemical and physical properties of chloride salts, but also their behavior in the neutron field and the influence of neutron balance inside the reactor. Many properties can also be determined using calculations that draw information from scientific nuclear libraries (endf). The purpose of this work is to compare important nuclear libraries with each other, and also to compare the reaction rates calculated from the library data with the reaction rates obtained by self-measurement. The preview will include a description of the necessary activities associated with the preparation of measurements, instructions for compiling the computer program NJOY and the process of the measurement itself. At the end of the work will be summarized the results and statements of which nuclear library is the closest in its values to the results of experiments.
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Jarchovský, Petr. "Výpočetní simulace urychlovačem řízeného jaderného reaktoru pro transmutaci vyhořelého jaderného paliva." Master's thesis, Vysoké učení technické v Brně. Fakulta elektrotechniky a komunikačních technologií, 2015. http://www.nusl.cz/ntk/nusl-221209.
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This master’s thesis deals with usage of burn-up (spent) nuclear fuel in nuclear power plants of next generation – accelerator driven transmutation plants which is produced in current nuclear power plants. This system could significantly reduce the volume of dangerous long-lived radioisotopes and moreover they would be able to take advantage of its great energy potential due to fast neutron spectrum. In the introduction are listed basic knowledge and aspects of spent nuclear fuel along with its reprocessing and the possibility of further use while minimizing environmental impact. As another point detailed description of accelerator driven systems is described together with its basic components. In addition this search is followed by individual chronological enumeration of projects of global significance concerning their current development. Emphasis is placed on SAD and MYRRHA projects, which are used like base for calculations. This last, computational part, deals with the creation of the geometry of subcritical transmutation reactor driven by accelerator and subsequent evaluation which assembly is the most effective for transmutation and energy purposes along with changing of target, nuclear fuel and coolant/moderator.
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Staněk, Štěpán. "Paroplynová turbína pro akumulaci energie." Master's thesis, Vysoké učení technické v Brně. Fakulta strojního inženýrství, 2020. http://www.nusl.cz/ntk/nusl-417553.
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Master thesis discusses the growing need of electric energy storage and its effectivity and capacity. It describes an overview of possible technologies with their advantages and disadvantages. Greater attention is paid to the storage of energy in gas, so-called Power to Gas, which combines the electrolytic production of hydrogen from water and the Sabatier reaction to produce synthetic methane. This technology is introduced in the so-called SIT Brno cycle of Siemens Industrial Turbomachinery company. The main part of the thesis is focused on the description of this cycle and on the calculation of the steam-gas turbine (high-pressure and low pressure module). This thesis describes the methodology of turbine calculation and the composition of the steam gas mixture after combustion of methane. The carbon dioxide formed by combustion in the steam-gas mixture generator was replaced by steam. Part of the diploma thesis are drawings of cross-section of individual turbine modules.
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Položij, Miroslav. "Teoretické studium mechanismů chemických reakcí probíhajících v mikroporézních materiálech." Master's thesis, 2013. http://www.nusl.cz/ntk/nusl-321945.
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Mechanisms of three reactions catalyzed by microporous materials were investigated computationally; the reactions investigated include Friedländer and Knoevenagel reactions catalyzed by Cu3BTC2 metal organic framework (MOF) and an intramolecular cyclisation of unsaturated alcohols catalyzed by zeolite H-ZSM-5. It was found that the reaction mechanisms of all three reactions are controlled by a high concentration of active sites in materials. Reaction intermediates interact with more than one active site simultaneously. This novel concept of "multiple-site" interactions is described. The concerted effect of two catalytic sites leads to a decrease of activation barriers on reaction paths of Friedländer and Knoevenagel reactions. On the contrary, a simultaneous interaction of reactants with two active sites has a negative effect on reaction rate in case of alcohol cyclization catalyzed by H-ZSM-5; it was found that the interaction with dual sites results in the increase of activation barriers and diffusion limitations. In case of Knoevenagel reaction catalyzed by CuBTC, the adsorption of reaction precursor to the reaction site allows the creation of a dynamic defect in the MOF framework that subsequently catalyses the reaction. Both, the multiple sites effect and the dynamical defect formation effect...
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Tsybizova, Alexandra. "Přímé monitorování reakcí katalyzovaných kovy pomocí hmotnostní spektrometrie s elektrosprejovou ionizaci." Doctoral thesis, 2016. http://www.nusl.cz/ntk/nusl-351051.
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The current dissertation thesis is focused on the investigation of metal-catalyzed reactions using electrospray ionization mass spectrometry as the primary research technique. However, other gas- phase methods such as tandem mass spectrometry, infrared multiphoton dissociation spectroscopy and quantum chemical calculations have also been involved to unravel and support the findings and proposals. As organometallic chemistry is a very broad and complicated topic, this thesis is only focused on a few projects. The fist of them is dedicated to copper acetate speciation in organic solvents, the second - to the mechanistic investigation of copper catalyzed aerobic cross coupling of thiol esters and arylboronic acids, the third studied coordination and bond activation of nickel(II) - phenylpyridine complexes and the last investigated carboxylate assisted C-H activation reactions.
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Vlk, Mikuláš. "Studium využití derivatizačních reakcí pro ESI-MS analýzu obtížně ionizovatelných aryl chlorokomplexů rhenia." Master's thesis, 2020. http://www.nusl.cz/ntk/nusl-434110.
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Mass spectrometry with electrospray ionization is an excellent method for structural analysis of coordination compounds with outstanding sensitivity and selectivity. However, it fails to detect some low-polar rhenium complexes. This master thesis describes derivatization method of non-ionizable rhenium complexes with 1,2-dihydroxybenzene and 2,3- dihydroxytoluenene. Fragmentation mechanisms and structure of prepared complexes was studied using high resolution mass spectrometry and collision-induced dissociation (CID). Furthermore, density functional theory (DFT) computational method was used for prediction of bond cleavage based on bond lengthening.
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Motloch, Petr. "Efekt stříbra v homogenní zlaté katalýze." Master's thesis, 2014. http://www.nusl.cz/ntk/nusl-339184.
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Gold catalysis has recently experienced a sustained upswing in interest from scientific community. The amount of new reactions catalysed by gold is so significant that little is known about mechanisms of most of these reactions. Research into mechanisms of (not only) gold catalysed reactions is therefore very significant area of interest and important to the continued improvement of gold catalysed reactions. Formation of cationic π-complexes is considered a first mechanistic step in reactions catalysed by gold(I). The bond dissociation energies of gas phase cationic π-complexes were investigated by mass spectrometry and theory calculations in this thesis. These complexes consisted of differently substituted unsaturated hydrocarbons (alkenes, alkynes, alkadienes and allenes) and complex cations of silver and gold containing second ligand (triphenylphosphine, acetonitrile). On the basis of the results obtained from this study, a possible origin of the "silver effect" in gold(I) catalysis is discussed. Key words catalysis, gold, silver, mass spectrometry, DFT calculations, reaction intermediates